Vitas-M small molecule compound

2-[(3-methyl-1H-pyrazol-5-yl)amino]-2-oxoethyl 3-fluorobenzoate

Catalog ID
STL013600
SMILES O=C(Nc1[nH]nc(c1)C)COC(=O)c1cccc(c1)F

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C13H12FN3O3 MW 277.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H12FN3O3/c1-8-5-11(17-16-8)15-12(18)7-20-13(19)9-3-2-4-10(14)6-9/h2-6H,7H2,1H3,(H2,15,16,17,18)
InChIKey
XDHHVURZELDCRC-UHFFFAOYSA-N
Synonyms

(2((5methyl1Hpyrazol3yl)amino)2oxoethyl)3fluorobenzoate
2((3methyl1Hpyrazol5yl)amino)2oxoethyl3fluorobenzoate
CC1=CC(=NN1)NC(=O)COC(=O)C2=CC(=CC=C2)F
InChI=1SC13H12FN3O3c18511(17168)1512(18)72013(19)932410(14)69h26H7H21H3(H215161718)
MFCD18186176
O=C(Nc1(nH)nc(c1)C)COC(=O)c1cccc(c1)F
ZINC000051356496
ZINC51356496

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Available files

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